Geometry & MOs

Info

ID:	27395
PubChem CID:	821099
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	25.94
Dipole, Da:	3.75
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-4,5-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)O

DOS

IR

Vibrations